2-[(2S)-6-chloranyl-4-(2-dimethylaminoethyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-6-chloranyl-4-(2-dimethylaminoethyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-6-chloro-4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-6-chloro-4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-6-chloro-4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-6-chloro-4-(2-dimethylaminoethyl)-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)O

Isomeric SMILES

CN(C)CCN1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C14H17ClN2O4/c1-16(2)5-6-17-10-7-9(15)3-4-11(10)21-12(14(17)20)8-13(18)19/h3-4,7,12H,5-6,8H2,1-2H3,(H,18,19)/t12-/m0/s1